methane; [2-[(E)-octadec-9-enoyl]oxy-3-oxidanyl-propyl] (E)-octadec-9-enoate

Systemtic Name: methane; [2-[(E)-octadec-9-enoyl]oxy-3-oxidanyl-propyl] (E)-octadec-9-enoate Openeye Name: [3-hydroxy-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate; methane CAS Name: methane; (E)-9-octadecenoic acid [3-hydroxy-2-[(E)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [3-hydroxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate; methane Traditional Name: methane; (E)-octadec-9-enoic acid [3-hydroxy-2-[(E)-octadec-9-enoyl]oxy-propyl] ester Formula: C40H76O5 MolecularWeight: 637.02844

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Descriptors Computed from Structure

Canonical SMILES:

C.CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

C.CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C39H72O5.CH4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,37,40H,3-16,21-36H2,1-2H3;1H4/b19-17+,20-18+;